SCHEMBL6297680

SCHEMBL6297680

CN(C)CC1CCC(=O)C=C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.36
MCHR1 Q99705 5/20 0.35
KIF11 P52732 2/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6294496 0.85 HSP90AA1 (0.36) METAP1MCHR1MITFHSP90AA1SMN1; SMN2
SCHEMBL6293028 0.82 METAP1 (0.41) METAP1MITFHSP90AA1ADRA2AADRA2B
SCHEMBL6297691 0.81 METAP1 (0.45) METAP1MCHR1MITFHSP90AA1SMN1; SMN2
SCHEMBL6294319 0.79 HSP90AA1 (0.36) METAP1MITFHSP90AA1SMN1; SMN2ADRA2A
SCHEMBL6861086 0.78 SLC6A4 (0.36) METAP1MCHR1KIF11LMNAGAA
SCHEMBL6861092 0.78 SLC6A4 (0.36) METAP1MCHR1KIF11LMNAGAA
SCHEMBL6870938 0.78 SLC6A4 (0.36) METAP1MCHR1KIF11LMNAGAA
SCHEMBL6297665 0.77 HSP90AA1 (0.35) METAP1MITFHSP90AA1SLC6A2SLC6A4
SCHEMBL6869161 0.76 SLC6A4 (0.37) MCHR1LMNAGAASLC6A2SLC6A4
SCHEMBL6294309 0.75 SLC6A3 (0.40) METAP1HSP90AA1SLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890959-B2 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2005-05-10 US claimed
EP-1246791-B1 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-10-27 EP claimed
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2003-05-22 US claimed
EP-1246791-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP claimed
WO-2001049651-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 WO claimed
US-6890959-B2 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2005-05-10 US disclosed
EP-1246791-B1 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-10-27 EP disclosed
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2003-05-22 US disclosed
EP-1246791-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP disclosed
WO-2001049651-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives CYP2J2, CYP2E1, CYP2D6 METAP1 1551/4885MCHR1 3336/4885KIF11 4504/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.